Molecule ID: mol23434
SMILES: O=C(O)C(=O)Nc1ccc(Cl)cc1
InChI: InChI=1S/C8H6ClNO3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | AttenGpKa training set | 0 » -1 |